N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

C16H19F15N2O2 — CID 87965191

IUPACN-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
SMILESNCCC(CCO)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H19F15N2O2/c17-10(18,9(35)33-6-1-2-8(3-5-32)4-7-34)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h8,34H,1-7,32H2,(H,33,35)
InChIKeyIWQOXWJSKJCPFL-UHFFFAOYSA-N
MW556.31 g/mol
LogP4.60
Rot. Bonds14

About N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide (PubChem CID 87965191) has the molecular formula C16H19F15N2O2 and a molecular weight of 556.31 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
PubChem CID87965191
Molecular FormulaC16H19F15N2O2
Molecular Weight556.31 g/mol
Exact Mass556.12
IUPAC NameN-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
SMILESNCCC(CCO)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H19F15N2O2/c17-10(18,9(35)33-6-1-2-8(3-5-32)4-7-34)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h8,34H,1-7,32H2,(H,33,35)
InChIKeyIWQOXWJSKJCPFL-UHFFFAOYSA-N
XLogP4.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.31
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide
CID 3746335
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[7-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)heptyl]nonanamide
CID 3089716
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-[6-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoylamino)hexyl]hexanamide
CID 177421303
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 163324662
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(3-methylbutyl)heptanamide
CID 3089865
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-pentylnonanamide
CID 4165117
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methylbutyl)nonanamide
CID 3089869
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide
CID 15072327
N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 4072472
2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
CID 3089717
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide
CID 3532120
6-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)hexanoic acid
CID 14496524

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?
The IUPAC name of N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide (CID 87965191) is N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide.
What is the SMILES notation for N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?
The canonical SMILES for N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide is NCCC(CCO)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?
The InChIKey is IWQOXWJSKJCPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F15N2O2/c17-10(18,9(35)33-6-1-2-8(3-5-32)4-7-34)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h8,34H,1-7,32H2,(H,33,35).
What are the key properties of N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?
N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide has a molecular weight of 556.31 g/mol, XLogP of 4.60, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)-6-hydroxyhexyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide is sourced from PubChem (CID 87965191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).